3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-2-12-6-8-15(9-7-12)24-11-16(21)20-18(25)19-14-5-3-4-13(10-14)17(22)23/h3-10H,2,11H2,1H3,(H,22,23)(H2,19,20,21,25)/p-1